SCHEMBL2004972

SCHEMBL2004972

CON(C)C(=O)CN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.50
CHRM5 P08912 2/20 0.45
CHRM3 P20309 2/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.36
PADI1 Q9ULC6 2/20 0.33
PADI4 Q9UM07 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BIRC2 Q13490 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2008568 0.98 SIGMAR1 (0.49) SIGMAR1CHRM5CHRM3MEN1KMT2A
SCHEMBL6493750 0.81 GAA (0.44) SIGMAR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9470969 0.81 SIGMAR1 (0.53) SIGMAR1CHRM5CHRM3MEN1KMT2A
SCHEMBL5863 0.81 SIGMAR1 (0.56) SIGMAR1CHRM5CHRM3MEN1KMT2A
SCHEMBL17355084 0.80 ALDH1A1 (0.43) SIGMAR1MEN1KMT2AALDH1A1SMN1; SMN2
Piperazine SCHEMBL28845954 0.79 SIGMAR1 (0.54) SIGMAR1CHRM5CHRM3MEN1KMT2A
Hydrochloric Acid SCHEMBL963162 0.79 ALDH1A1 (0.54) SIGMAR1CHRM5CHRM3MEN1KMT2A
Hydrochloric Acid SCHEMBL17271878 0.79 ALDH1A1 (0.54) SIGMAR1CHRM5CHRM3MEN1KMT2A
SCHEMBL31242949 0.79 KDM4E (0.48) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8393969 0.78 SIGMAR1 (0.53) SIGMAR1CHRM5CHRM3MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466155-B2 Pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8410126-B2 Pyrimidine inhibitors of PKTK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 US disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-20110130401-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
WO-2011039344-A1 PYRIMIDINE DERIVATIVES AS PROTEIN TYROSINE KINASE 2 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-07 WO disclosed
WO-2010136559-A1 2, 4 -DIAMINOPYRIMIDINES FOR THE TREATMENT OF DISEASES CHARACTERISED BY EXCESSIVE OR ABNORMAL CELL PROLIFERATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 WO disclosed
US-7579368-B2 Cis-imidazolines HOFFMAN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579368-B2 Cis-imidazolines HOFFMAN-LA ROCHE INC. (US) 2009-08-25 US disclosed
EP-1753727-B1 NOVEL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1753727-B1 NOVEL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1861376-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F. Hoffmann-Roche AG (CH) 2007-12-05 EP disclosed
EP-1753727-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-02-21 EP disclosed
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed
US-20060211693-A1 Cis-imidazolines FOTOUHI NADER 2006-09-21 US disclosed
US-20050288287-A1 Chiral cis-imidazolines FOTOUHI NADER 2005-12-29 US disclosed
WO-2005110996-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2005-11-24 WO disclosed
WO-2005110996-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2005-11-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060211693-A1 Cis-imidazolines TP53, MDM2, CDC25C SIGMAR1 3877/4885CHRM5 3828/4885CHRM3 2359/4885
US-20110130401-A1 NEW CHEMICAL COMPOUNDS RB1, MKI67, CCNA1 SIGMAR1 377/4885CHRM5 130/4885CHRM3 500/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 SIGMAR1 2590/4885CHRM5 4495/4885CHRM3 3057/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.